MIPs logo MIPdatabase      MIP2020 Conference logo Use this space
Custom Search
Reference type: Journal
Authors: Breton F, Rouillon R, Piletska EV, Karim K, Guerreiro A, Chianella I, Piletsky SA
Article Title: Virtual imprinting as a tool to design efficient MIPs for photosynthesis-inhibiting herbicides.
Publication date: 2007
Journal: Biosensors and Bioelectronics
Volume: 22
Issue: (9-10)
Page numbers: 1948-1954.
DOI: 10.1016/j.bios.2006.08.017
Alternative URL: http://www.sciencedirect.com/science/article/B6TFC-4KYXHR2-2/2/ca2e1d5b6a3f850eeccd65e9cceb87c5

Abstract: Molecular modelling and computational screening were used to identify functional monomers capable of interacting with several different photosynthesis-inhibiting herbicides. The process involved the design of a virtual library of molecular models of functional monomers containing polymerizable residues and residues able to interact with the template through electrostatic, hydrophobic, Van der Waals forces and dipole-dipole interactions. Each of the entries in the virtual library was probed for its possible interactions with molecular models of the template molecules. It was anticipated that the monomers giving the highest binding score would represent good candidates for the preparation of affinity polymers. Strong interactions were computationally determined between acidic functional monomers like methacrylic acid (MAA) or itaconic acid (IA) with triazines, and between vinylimidazole with bentazone and bromoxynil. Nevertheless, weaker interactions were seen with phenylureas. The corresponding blank polymers were prepared using the selected monomers and tested in the solid phase extraction (SPE) of herbicides from chloroform solutions. A good correlation was found between the binding score of the monomers and the affinities of the corresponding polymers. The use of computationally designed blanks can potentially eliminate the need for molecular imprinting, (adding a template to the monomer mixture to create specific binding sites). Data also showed that some monomers have a natural selectivity for some herbicides, which can be further enhanced by imprinting. Thus, in regard to retention on the blank polymer, we can estimate if the resulting imprinted polymer will be effective or not
Author keywords: molecular modelling, imprinted polymer, solid phase extraction, herbicide


  Shirt featuring the name Sergey spelled out in symbols of the chemical elements  Mug featuring the name Iva spelled out in the single letter amino acid code  Perpetual student shirt

Molecules Special Issue call      Appeal for information






 

Join the Society for Molecular Imprinting
Logo of the Society for Molecular Imprinting

New items RSS feed
new items RSS feed  View latest updates

Sign-up for e-mail updates:
Choose between receiving an occasional newsletter or more frequent e-mail alerts.
Click here to go to the sign-up page.


Is your name elemental or peptidic? Enter your name and find out by clicking either of the buttons below!
Other products you may like:
view listings for MIP books on eBay:



Mickey Mouse 90th Anniversary banner